SCHEMBL8314726

SCHEMBL8314726

CC(C)(C)OC(=O)OC1CCN(CC2CN(c3ccc(CN)cc3)C(=O)O2)CC1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 18/20 0.44
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8312792 0.92 SIGMAR1 (0.46) SIGMAR1ITGB3ITGA2B
SCHEMBL8315274 0.89 SIGMAR1 (0.43) SIGMAR1ITGB3ITGA2B
SCHEMBL8310860 0.88 ITGB3 (0.50) SIGMAR1ITGB3ITGA2B
SCHEMBL8948693 0.87 SIGMAR1 (0.43) SIGMAR1ITGB3ITGA2B
SCHEMBL8315960 0.87 ITGB3 (0.43) SIGMAR1ITGB3ITGA2B
SCHEMBL8948804 0.87 SIGMAR1 (0.46) SIGMAR1ITGB3ITGA2B
SCHEMBL8310904 0.86 SIGMAR1 (0.46) SIGMAR1ITGB3ITGA2B
SCHEMBL8316462 0.86 SIGMAR1 (0.46) SIGMAR1ITGB3ITGA2B
SCHEMBL8312579 0.86 SIGMAR1 (0.46) SIGMAR1ITGB3ITGA2B
SCHEMBL8448374 0.86 GRM2 (0.48) SIGMAR1ITGB3ITGA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623615-B1 Substituted 1-phenyl-oxazolidin-2-one derivatives, their preparation and their use as adhesion-receptor antagonists MERCK PATENT GMBH (DE) 1999-06-30 EP disclosed
EP-0623615-A1 Adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1994-11-09 EP disclosed